Ge2Rb4Se6

Ge2Rb4Se6 is a thermodynamically stable semiconducting material being explored as a potential candidate for advanced photovoltaic and optoelectronic applications.

Crystal structure of Ge2Rb4Se6 (monoclinic, C2/m (No. 12))
Ground-state structure · Materials Project
Overview

About Ge2Rb4Se6

Ge2Rb4Se6 is a semiconducting compound that occupies a distinct position within the broader landscape of halide-related photovoltaic materials. Its status as a thermodynamically stable phase on the convex hull suggests a robust structural integrity that is highly desirable for long-term material applications.

This compound represents an intriguing alternative to traditional lead-based perovskites. By incorporating germanium and rubidium, it offers a unique electronic environment that researchers are investigating to overcome the stability and toxicity limitations often found in conventional solar cell materials.

At a glance

Key Properties

Cross-validated computational properties for Ge2Rb4Se6, aggregated across 3 databases.

Band Gap

1.50 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Ge2Rb4Se6, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/m (No. 12)monoclinic1.500.0000-3.9563.81
C2/m (No. 12)
3.85
Uses

Applications

Where Ge2Rb4Se6 is used.

Photovoltaic researchOptoelectronic device developmentSemiconductor material studies
Reference

Frequently Asked Questions

Common questions about Ge2Rb4Se6, answered from cross-validated data.

What is Ge2Rb4Se6?

Ge2Rb4Se6 is a thermodynamically stable semiconducting material being explored as a potential candidate for advanced photovoltaic and optoelectronic applications.

More questions
What is Ge2Rb4Se6 used for?
Ge2Rb4Se6 is used in photovoltaic research, optoelectronic device development, and semiconductor material studies.
What is the band gap of Ge2Rb4Se6?
Ge2Rb4Se6 has a DFT-computed band gap of 1.50 eV across 3 reported structures.
Is Ge2Rb4Se6 a metal, semiconductor, or insulator?
With a band gap up to 1.50 eV it is a semiconductor.
Is Ge2Rb4Se6 thermodynamically stable?
Yes — Ge2Rb4Se6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ge2Rb4Se6?
The lowest-energy reported polymorph of Ge2Rb4Se6 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of Ge2Rb4Se6?
The computed density of the ground-state structure of Ge2Rb4Se6 is 3.81 g/cm³.
How many polymorphs of Ge2Rb4Se6 are known?
3 structures of Ge2Rb4Se6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Ge2Rb4Se6 contain?
Ge2Rb4Se6 contains Ge, Rb, and Se (3 elements).
Where does the data for Ge2Rb4Se6 come from?
Ge2Rb4Se6 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

Within the halide perovskite photovoltaics class.

Unlike the widely studied lead-halide perovskites such as CsPbBr3 or CsSnI3, Ge2Rb4Se6 utilizes a chalcogenide framework that provides a different approach to band engineering and structural stability. While many members of this class, including RbPbF3 and Cs4I12Sn4, focus on halide-based architectures, this compound highlights the potential of selenium-based systems to provide stable, semiconducting alternatives in the search for next-generation optoelectronic materials.

Explore

Related Compounds

Other Halide Perovskite Photovoltaics in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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